Information card for entry 1518563

Structure parameters

• Formula: C60 H48 F6 N4 O5
• Calculated formula: C60 H48 F6 N4 O5
• Title of publication: Optical Behavior of Substituted 4-(2'-Hydroxyphenyl)imidazoles.
• Authors of publication: Jeżewski, Artur; Hammann, Tommy; Cywiński, Piotr J; Gryko, Daniel T.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2015
• Journal volume: 119
• Journal issue: 6
• Pages of publication: 2507 - 2514
• a: 16.6424 ± 0.0006 Å
• b: 9.314 ± 0.0003 Å
• c: 17.808 ± 0.0007 Å
• α: 90°
• β: 99.221 ± 0.002°
• γ: 90°
• Cell volume: 2724.7 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1677
• Residual factor for significantly intense reflections: 0.1504
• Weighted residual factors for significantly intense reflections: 0.4373
• Weighted residual factors for all reflections included in the refinement: 0.4836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.963
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No